1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-(methylamino)ethanone

C7H14N2O3 — CID 107220659

IUPAC1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C7H14N2O3/c1-8-2-7(12)9-3-5(10)6(11)4-9/h5-6,8,10-11H,2-4H2,1H3/t5-,6+
InChIKeyXGWDKHIXCPXHKB-OLQVQODUSA-N
MW174.20 g/mol
LogP-2.23
Rot. Bonds2

About 1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-(methylamino)ethanone

1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-(methylamino)ethanone (PubChem CID 107220659) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is 1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-(methylamino)ethanone
PubChem CID107220659
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C7H14N2O3/c1-8-2-7(12)9-3-5(10)6(11)4-9/h5-6,8,10-11H,2-4H2,1H3/t5-,6+
InChIKeyXGWDKHIXCPXHKB-OLQVQODUSA-N
XLogP-2.23
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-2.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-(methylamino)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 79403744
1-(3,4-dihydroxypyrrolidin-1-yl)-5-methylhexan-1-one
CID 130410946
2-(methylamino)-1-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanone
CID 91159845
1-(1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindol-2-yl)-2-(methylamino)ethanone;hydrochloride
CID 119803635
1-[(3S)-3-fluoropyrrolidin-1-yl]-2-(methylamino)ethanone
CID 129494766
2-amino-N-[2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 107220699
1-(3-fluoropyrrolidin-1-yl)-2-(methylamino)ethanone
CID 121200892
1-(3,4-dihydroxypyrrolidin-1-yl)-2-methylsulfanylethanone
CID 106671457
CID 168941428
CID 168941428
2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 59542495
1-(3-methoxypyrrolidin-1-yl)-2-(methylamino)ethanone
CID 83628524
1-(4-ethylpiperidin-1-yl)-2-(methylamino)ethanone
CID 60963767

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-(methylamino)ethanone?
The IUPAC name of 1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-(methylamino)ethanone (CID 107220659) is 1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-(methylamino)ethanone is CNCC(=O)N1C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of 1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-(methylamino)ethanone?
The InChIKey is XGWDKHIXCPXHKB-OLQVQODUSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-8-2-7(12)9-3-5(10)6(11)4-9/h5-6,8,10-11H,2-4H2,1H3/t5-,6+.
What are the key properties of 1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-(methylamino)ethanone?
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-(methylamino)ethanone has a molecular weight of 174.20 g/mol, XLogP of -2.23, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-(methylamino)ethanone is sourced from PubChem (CID 107220659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).